@MOLECULE (2s,3r)-3-{[amino(phenyl)acetyl]amino}-2-methyl-4-oxo-1-azetidinesulfonic acid 36 37 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.7242 -0.6732 0.0554 S.O2 1 UNL111111111 2.5670 2 O -2.0711 1.9224 1.6123 O.2 1 UNL111111111 -0.3930 3 O -4.8678 0.4412 -0.3425 O.3 1 UNL111111111 -0.8125 4 O -3.9109 -1.0853 1.4082 O.2 1 UNL111111111 -0.8286 5 O -3.7085 -1.6070 -1.0401 O.2 1 UNL111111111 -0.9212 6 O 1.8717 2.5858 -1.0820 O.2 1 UNL111111111 -0.5205 7 N -2.3059 0.2807 -0.0823 N.am 1 UNL111111111 -0.8745 8 N 0.7634 1.1347 0.2641 N.am 1 UNL111111111 -0.5772 9 N 4.3953 1.9712 -0.1427 N.3 1 UNL111111111 -0.6029 10 C -1.2059 0.1790 -1.1070 C.3 1 UNL111111111 0.1217 11 C -0.5023 1.3974 -0.3542 C.3 1 UNL111111111 -0.0329 12 C -1.7159 1.3421 0.6433 C.2 1 UNL111111111 0.5860 13 C -0.4750 -1.1410 -1.1100 C.3 1 UNL111111111 -0.4863 14 C 1.9113 1.7450 -0.2113 C.2 1 UNL111111111 0.5232 15 C 3.2333 1.2983 0.4531 C.3 1 UNL111111111 -0.0303 16 C 3.3441 -0.2009 0.3243 C.ar 1 UNL111111111 -0.0414 17 C 3.4942 -0.9906 1.4636 C.ar 1 UNL111111111 -0.1496 18 C 3.2684 -0.7984 -0.9358 C.ar 1 UNL111111111 -0.1682 19 C 3.5475 -2.3786 1.3415 C.ar 1 UNL111111111 -0.1381 20 C 3.3254 -2.1839 -1.0540 C.ar 1 UNL111111111 -0.1414 21 C 3.4591 -2.9757 0.0859 C.ar 1 UNL111111111 -0.1409 22 H -1.5640 0.4546 -2.1213 H 1 UNL111111111 0.1504 23 H -0.4837 2.3326 -0.9584 H 1 UNL111111111 0.1969 24 H -0.2364 -1.5069 -0.1038 H 1 UNL111111111 0.1597 25 H 0.4710 -1.0703 -1.6643 H 1 UNL111111111 0.1629 26 H -1.0789 -1.9284 -1.5945 H 1 UNL111111111 0.1851 27 H 0.8114 0.3738 0.9280 H 1 UNL111111111 0.3222 28 H 3.2033 1.6150 1.5357 H 1 UNL111111111 0.1818 29 H -5.3822 0.2565 -1.1442 H 1 UNL111111111 0.3906 30 H 4.2090 2.9544 -0.3044 H 1 UNL111111111 0.2717 31 H 4.6740 1.5515 -1.0169 H 1 UNL111111111 0.2564 32 H 3.5821 -0.5300 2.4470 H 1 UNL111111111 0.1610 33 H 3.1619 -0.1824 -1.8281 H 1 UNL111111111 0.1578 34 H 3.6625 -2.9968 2.2311 H 1 UNL111111111 0.1552 35 H 3.2690 -2.6489 -2.0375 H 1 UNL111111111 0.1557 36 H 3.4988 -4.0599 -0.0067 H 1 UNL111111111 0.1544 @BOND 1 1 3 1 2 1 4 2 3 1 5 2 4 1 7 1 5 2 12 2 6 3 29 1 7 6 14 2 8 7 10 1 9 7 12 am 10 8 11 1 11 8 14 am 12 8 27 1 13 9 15 1 14 9 30 1 15 9 31 1 16 10 11 1 17 10 13 1 18 10 22 1 19 11 12 1 20 11 23 1 21 13 24 1 22 13 25 1 23 13 26 1 24 14 15 1 25 15 16 1 26 15 28 1 27 16 17 ar 28 16 18 ar 29 17 19 ar 30 17 32 1 31 18 20 ar 32 18 33 1 33 19 21 ar 34 19 34 1 35 20 21 ar 36 20 35 1 37 21 36 1